3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid

C11H23NO6 — CID 154205178

IUPAC3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESCCOCCOCCOCC(N)OCCC(=O)O
InChIInChI=1S/C11H23NO6/c1-2-15-5-6-16-7-8-17-9-10(12)18-4-3-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyWPLHQWVEULPJMD-UHFFFAOYSA-N
MW265.31 g/mol
LogP-0.17
Rot. Bonds13

About 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid

3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid (PubChem CID 154205178) has the molecular formula C11H23NO6 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid
PubChem CID154205178
Molecular FormulaC11H23NO6
Molecular Weight265.31 g/mol
Exact Mass265.15
IUPAC Name3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid
SMILESCCOCCOCCOCC(N)OCCC(=O)O
InChIInChI=1S/C11H23NO6/c1-2-15-5-6-16-7-8-17-9-10(12)18-4-3-11(13)14/h10H,2-9,12H2,1H3,(H,13,14)
InChIKeyWPLHQWVEULPJMD-UHFFFAOYSA-N
XLogP-0.17
TPSA100.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
tert-butyl 3-[2-amino-2-(2-ethoxyethoxy)ethoxy]propanoate
CID 156780297
benzene;3-(2-ethoxyethoxy)propanoic acid
CID 174652454
2-amino-3-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]propanoic acid
CID 177139504
7-[2-(2-ethoxyethoxy)ethoxy]heptanoic acid
CID 23631652
4-[2-(3-ethoxypropoxy)ethoxy]-4-oxobutanoic acid
CID 58559856
3-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]propanoic acid
CID 87457805
6-(2-ethoxyethoxy)-6-oxohexanoic acid
CID 22169586
3-[2-[2-(2-hydroxybutoxy)ethoxy]ethoxy]propanoic acid
CID 163504647
dodecanedioic acid;1-(2-ethoxyethoxy)-2-(2-hydroxyethoxy)ethanol
CID 163973493
2-[2-(2-amino-2-butoxyethoxy)ethoxy]ethanol
CID 87459589
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972

Frequently Asked Questions

What is the IUPAC name of 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid (CID 154205178) is 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid is CCOCCOCCOCC(N)OCCC(=O)O.
What is the InChIKey of 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid?
The InChIKey is WPLHQWVEULPJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO6/c1-2-15-5-6-16-7-8-17-9-10(12)18-4-3-11(13)14/h10H,2-9,12H2,1H3,(H,13,14).
What are the key properties of 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid?
3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of -0.17, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-amino-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 154205178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).